![2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid structure](/static/products/198/198762-47-9.png)
2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid
TL;DR: 2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid (CAS 198762-47-9) is a chemical compound with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methylamino]benzoic acid
Also Known As: 2-hydroxy-5-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methylamino]benzoic acid, 2-hydroxy-5-[(2-sulfanylidenebenzooxazol-3-yl)methylamino]benzoic Acid, 2-Hydroxy-5-[[[2-thioxobenzo[d]oxazol-3(2H)-yl]methyl]amino]benzoic Acid, 2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid
| Molecular Formula | C15H12N2O4S |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 3.43719 |
| Topological Polar Surface Area | 87.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0518 |
| Heavy Atoms | 22 |
| Complexity | 913.2916 |
Chemical Identifiers
| CAS Number | 198762-47-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=S)O2)CNC3=CC(=C(C=C3)O)C(=O)O |
Product Overview
2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid (CAS 198762-47-9), with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol. IUPAC: 2-hydroxy-5-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methylamino]benzoic acid.
Chemical Property Profile of 2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid
Property Insights of 2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid
The XLogP value of 3.43719 indicates that 2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid. Following Lipinski's Rule of Five, 2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid?
The CAS number of 2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid is 198762-47-9.
What is the molecular formula of 2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid?
The molecular formula of 2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid is C15H12N2O4S.
What is the molecular weight of 2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid?
The molecular weight of 2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid is 316.05 g/mol.
Where can I buy 2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid?
You can request a quote for 2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-hydroxy-5-{[(2-thioxo-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.